(6-(2-Chlorophenyl)-8,9-dihydro-1-methyl-4H,7H-cyclopenta(4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-8-yl)-4-morpholinylmethanone
Basic information
- CAS
114776-28-2- Standard SMILES
Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CC(C(=O)N1CCOCC1)C3- InChIKey
FWYVRZOREBYLCY-UHFFFAOYSA-N- Molecular formula
- C23H22ClN5O2S
- Average molar mass
- 468 g/mol
- Monoisotopic mass
- 467.1182738
Overview
RN given from Toxlit 6/90; PAF antagonist
Names & identifiers
- Preferred name
- (6-(2-Chlorophenyl)-8,9-dihydro-1-methyl-4H,7H-cyclopenta(4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-8-yl)-4-morpholinylmethanone
- IUPAC
- [9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-morpholin-4-ylmethanone
- English name
- bepafant
- Molecular formula
- C23H22ClN5O2S
- Molecular weight
- 467.97
Names & synonyms
Bepafant114776-28-2WEB-2170WEB2170CKS724B66O6-(2-chlorophenyl)-8,9-dihydro-1-methyl-8-(4-morpholinylcarbonyl)-4H,7H-cyclopenta(4,5)thieno(3,5-f)(1,2,4)triazolo(4,3-a)(1,4)diazepinebepafantumRefChem:906236(6-(2-Chlorophenyl)-8,9-dihydro-1-methyl-4H,7H-cyclopenta(4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-8-yl)-4-morpholinylmethanoneBepafant [INN][9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-morpholin-4-ylmethanone4-((6-(o-Chlorophenyl)-8,9-dihydro-1-methyl-4H,7H-cyclopenta(4,5)thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepin-8-yl)carbonyl)morpholine
Show more names
Methanone, [6-(2-chlorophenyl)-8,9-dihydro-1-methyl-4H,7H-cyclopenta[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-morpholinyl-
BepafantoBepafanto [INN-Spanish]UNII-CKS724B66Obepafant oDTXSID10869589BEPAFANT [MART.]SCHEMBL94512CHEMBL325439
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 765
Physicochemical properties
- Boiling point
- 744.5 · 744.5±70.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 2.27 · 2.27±0.60(Predicted)
- FDA UNII
- 724 B66O · CKS724B66O
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Applications
UsesBepafant is a selective hetrazepinoic antagonist of platelet activating factor (PAF).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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